UCSF

ZINC20357592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 12 Yes

Other Names:

MFCD09991752

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.74 3.73 -7.36 3 3 0 55 163.224 1
Mid Mid (pH 6-8) 1.74 3.86 -32.65 4 3 1 56 164.232 1

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.